SCHEMBL28354225

SCHEMBL28354225

CC(C)C(OC(N)=O)C(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.47
▸ PDF Q9HBH1 1/20 0.41
▸ SSTR3 P32745 1/20 0.40
▸ TGM2 P21980 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ SIRT2 Q8IXJ6 6/20 0.35
▸ SIRT1 Q96EB6 5/20 0.35
▸ SIRT3 Q9NTG7 3/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28354223 1.00 HTR2A (0.47) HTR2APDFSSTR3TGM2ALDH1A1
Trifluoroacetic Acid SCHEMBL28635685 0.95 HTR2A (0.43) HTR2APDFSSTR3TGM2ALDH1A1
SCHEMBL32667911 0.92 HTR2A (0.44) HTR2APDFSSTR3TGM2ALDH1A1
SCHEMBL26241697 0.91 HTR2A (0.50) HTR2APDFSSTR3TGM2ALDH1A1
SCHEMBL31009020 0.90 HTR2A (0.49) HTR2APDFSSTR3TGM2ALDH1A1
SCHEMBL15631789 0.90 HTR2A (0.49) HTR2APDFSSTR3TGM2ALDH1A1
SCHEMBL28635684 0.89 HTR2A (0.41) HTR2APDFSSTR3TGM2ALDH1A1
SCHEMBL24728317 0.89 HTR2A (0.48) HTR2APDFSSTR3TGM2ALDH1A1
SCHEMBL21544417 0.89 HTR2A (0.48) HTR2APDFSSTR3TGM2ALDH1A1
SCHEMBL21544416 0.89 HTR2A (0.48) HTR2APDFSSTR3TGM2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116761635-A BCL-XL inhibitor antibody drug conjugates and methods of use thereof 诺华股份有限公司 2023-09-15 — — CN disclosed
CN-109963870-B anti-B7-H3 antibodies and antibody drug conjugates 艾伯维公司 2023-07-28 — — CN disclosed
CN-116284404-A anti-B7-H3 antibodies and antibody drug conjugates 艾伯维公司 2023-06-23 — — CN disclosed
CN-116173232-A anti-CD 98 antibodies and antibody drug conjugates 艾伯维公司 2023-05-30 — — CN disclosed
CN-116059201-A anti-EGFR antibody drug conjugates 艾伯维公司 2023-05-05 — — CN disclosed
CN-116059202-A anti-EGFR antibody drug conjugates 艾伯维公司 2023-05-05 — — CN disclosed
CN-116059394-A anti-EGFR antibody drug conjugates 艾伯维公司 2023-05-05 — — CN disclosed
CN-109562170-B anti-CD 98 antibodies and antibody drug conjugates 艾伯维公司(US) 2023-01-13 — — CN disclosed
CN-111620861-A BCL-XL inhibitory compound having low cell permeability and antibody drug conjugate including the same 艾伯维公司 2020-09-04 — — CN disclosed
CN-107660208-B Bifunctional cytotoxic agents comprising a CTI pharmacophore 辉瑞公司 2020-06-30 — — CN disclosed
CN-111051329-A Hamiltrin derivatives and antibody drug complexes thereof 大日本住友制药株式会社 2020-04-21 — — CN disclosed
CN-110678183-A Antibody conjugates comprising TOLL-like receptor agonists and combination therapies 诺华股份有限公司 2020-01-10 — — CN disclosed
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